update ray dir name and param version (#108)

fastfold/workflow/template/fastfold_data_workflow.py

@@ -119,7 +119,8 @@ class FastFoldDataWorkFlow:
 
 
     def run(self, fasta_path: str, alignment_dir: str=None, storage_dir: str=None) -> None:
-        storage_dir = "file:///tmp/ray/" + os.getlogin() + "/workflow_data"
+        timestamp = time.strftime("%Y-%m-%d-%H-%M-%S", time.localtime()) 
+        storage_dir = "file:///tmp/ray/" + str(timestamp) + "/workflow_data"
         if storage_dir is not None:
             if not os.path.exists(storage_dir):
                 os.makedirs(storage_dir[7:], exist_ok=True)

fastfold/workflow/template/fastfold_multimer_data_workflow.py

@@ -137,7 +137,8 @@ class FastFoldMultimerDataWorkFlow:
 
 
     def run(self, fasta_path: str, alignment_dir: str=None, storage_dir: str=None) -> None:
-        storage_dir = "file:///tmp/ray/" + os.getlogin() + "/workflow_data"
+        timestamp = time.strftime("%Y-%m-%d-%H-%M-%S", time.localtime()) 
+        storage_dir = "file:///tmp/ray/" + str(timestamp) + "/workflow_data"
         if storage_dir is not None:
             if not os.path.exists(storage_dir):
                 os.makedirs(storage_dir[7:], exist_ok=True)

inference_multimer.sh

@@ -19,5 +19,5 @@ python inference.py target.fasta data/pdb_mmcif/mmcif_files \
     --hhsearch_binary_path `which hhsearch` \
     --kalign_binary_path `which kalign`  \
     --model_preset multimer \
-    --param_path data/params/params_model_1_multimer.npz \
+    --param_path data/params/params_model_1_multimer_v2.npz \
     --model_name model_1_multimer \